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PreviewIssue DateTitleAuthor(s)ProgramCalculation typeMethod(s)Basis SetEnergySolv.Vibr.Orb.
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane T3_with_NMe3Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1383.71078202; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane T4Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1453.50990395; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane T2_reactionH2O_with_NMe3Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization TSRM062X--1232.21884147; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane I3Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1209.32696902; Eh
thumbnail.jpeg24-Feb-2020/SupportingStructures/Benchmark/dlpno_ccpVQZ NButylaminePérez-Soto, RaúlOrca; 4.0.1.2; RELEASESingle pointDLPNO-CCSD(T)cc-pVQZ; AutoAux-212.42256222; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane I2_without_NMe3Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1209.24759242; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane H2AlClFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--703.863428298; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane TheosilaneFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--750.880122136; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane I2_with_NMe3Fianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--1383.72687964; Eh
thumbnail.jpeg22-May-2018/Suggested_Synthesis_Theosilane PhCl2SiSiCl2PhFianchini, MauroGaussian; 09; EM64L-G09RevD.01Geometry optimization MinimumRM062X--2883.30497011; Eh
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